2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid

C8H15N5O2S — CID 64709292

IUPAC2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)Sc1nnnn1C
InChIInChI=1S/C8H15N5O2S/c1-5(4-8(2,9)6(14)15)16-7-10-11-12-13(7)3/h5H,4,9H2,1-3H3,(H,14,15)
InChIKeyBWLXEKNTTOAZIG-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.12
Rot. Bonds5

About 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid

2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid (PubChem CID 64709292) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
PubChem CID64709292
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)Sc1nnnn1C
InChIInChI=1S/C8H15N5O2S/c1-5(4-8(2,9)6(14)15)16-7-10-11-12-13(7)3/h5H,4,9H2,1-3H3,(H,14,15)
InChIKeyBWLXEKNTTOAZIG-UHFFFAOYSA-N
XLogP-0.12
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid (CID 64709292) is 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid is CC(CC(C)(N)C(=O)O)Sc1nnnn1C.
What is the InChIKey of 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid?
The InChIKey is BWLXEKNTTOAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-5(4-8(2,9)6(14)15)16-7-10-11-12-13(7)3/h5H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid?
2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid has a molecular weight of 245.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid is sourced from PubChem (CID 64709292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).